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196940-30-4 | [1,1-Biphenyl]-4-ol, 4-mercapto-
CAS No: 196940-30-4 Catalog No: AG003CQE MDL No:MFCD24393002
Product Description
Catalog Number:
AG003CQE
Chemical Name:
[1,1-Biphenyl]-4-ol, 4-mercapto-
CAS Number:
196940-30-4
Molecular Formula:
C12H10OS
Molecular Weight:
202.2722
MDL Number:
MFCD24393002
IUPAC Name:
4-(4-sulfanylphenyl)phenol
InChI:
InChI=1S/C12H10OS/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChI Key:
ACSKPUYTJYRIIP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ccc(cc1)S
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.271g/mol
Monoisotopic Mass:
202.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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